Drug-repurposing against COVID-19 by targeting a key signaling pathway: An in silico study

Ki Kwang Oh; Md Adnan; Dong Ha Cho

doi:10.1016/j.mehy.2021.110656

Drug-repurposing against COVID-19 by targeting a key signaling pathway: An in silico study

Med Hypotheses. 2021 Oct:155:110656. doi: 10.1016/j.mehy.2021.110656. Epub 2021 Aug 9.

Authors

Ki Kwang Oh¹, Md Adnan¹, Dong Ha Cho²

Affiliations

¹ Department of Bio-Health Convergence, College of Biomedical Science, Kangwon National University, Chuncheon 24341, South Korea.
² Department of Bio-Health Convergence, College of Biomedical Science, Kangwon National University, Chuncheon 24341, South Korea. Electronic address: chodh@kangwon.ac.kr.

Abstract

Currently, a plethora of information has been accumulated concerning COVID-19, including the transmission pathway of SARs-CoV-2. Thus, we retrieved targets associated with the development of COVID-19 via PubChem. A total of 517 targets were identified, and signaling pathways responded after infection of SARs-CoV-2 in humans constructed a bubble chart using RPackage. The bubble chart result suggested that the key signaling pathway against COVID-19 was the estrogen signaling pathway associated with AKT1, HSP90AB1, BCL2 targets. The three targets have the strongest affinity with three ligands-Akti-1/2, HSP990, S55746, respectively. In conclusion, this work provides three key elements to alleviate COVID-19 symptoms might be anti-inflammatory effects on SARs-CoV-2-infected lung cells.

Keywords: AKT1-HSP90AB1-BCL2; Akti-1/2-HSP990-S55746; Anti-inflammatory effects; COVID-19; Estrogen signaling pathway.

MeSH terms

Antiviral Agents
COVID-19*
Computer Simulation
Drug Repositioning
Humans
Pharmaceutical Preparations*
SARS-CoV-2
Signal Transduction

Substances

Antiviral Agents
Pharmaceutical Preparations